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Β-D-Ribofuranose, 5-Deoxy-, 1,2,3-Triacetate
CAS: 62211-93-2 | C11H16O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62211-93-2
Molecular Formula:
C11H16O7
Molecular Mass:
260.24 g/mol
Names and Synonyms:
Β-D-Ribofuranose, 5-Deoxy-, 1,2,3-Triacetate
β-D-Ribofuranose, 5-deoxy-, 1,2,3-triacetate
β-D-Ribofuranose, 5-deoxy-, triacetate
1,2,3-Tri-O-acetyl-5-deoxy-β-D-ribofuranose
Identifiers:
SMILES:
CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChI:
InChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11+/m1/s1
Key Properties
Melting Point
63-64 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.24 g/mol | CAS Common Chemistry |
| 260.24199999999996 g/mol | RDKit | |
| 260.08960285200004 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1OC(C)C(OC(=O)C)C1OC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NXEJETQVUQAKTO-PRTGYXNQSA-N | CAS Common Chemistry |
| Melting Point | 63-64 °C | CAS Common Chemistry |
| Name | β-D-Ribofuranose, 5-deoxy-, 1,2,3-triacetate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 88.13 Ų | RDKit |
| LogP | 0.15769999999999973 | RDKit |
| Molar Refractivity | 57.20900000000003 | RDKit |
